CID 331242

Nsc322027

Structural Information

Molecular Formula
C17H20FN
SMILES
C1C2CC3CC1CC(C2)(C3)N=CC4=CC=CC=C4F
InChI
InChI=1S/C17H20FN/c18-16-4-2-1-3-15(16)11-19-17-8-12-5-13(9-17)7-14(6-12)10-17/h1-4,11-14H,5-10H2
InChIKey
ONMZAGWXFQFZDW-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-1-(2-fluorophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.158 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.16528 156.7
[M+Na]+ 280.14722 159.1
[M-H]- 256.15072 155.1
[M+NH4]+ 275.19182 180.5
[M+K]+ 296.12116 154.0
[M+H-H2O]+ 240.15526 146.9
[M+HCOO]- 302.15620 165.6
[M+CH3COO]- 316.17185 165.1
[M+Na-2H]- 278.13267 167.1
[M]+ 257.15745 154.6
[M]- 257.15855 154.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.